./iterations/neb0_image02_iter69_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.368047607032E+03 0.36805E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.464812172383E+01 -0.36340E+03 -0.34868E+03 834 0.195E+02
DAV: 3 -0.956926290660E+02 -0.10034E+03 -0.10001E+03 688 0.116E+02
DAV: 4 -0.100169156974E+03 -0.44765E+01 -0.44665E+01 688 0.279E+01
DAV: 5 -0.100256255955E+03 -0.87099E-01 -0.87055E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916529712294E+02 0.86033E+01 -0.30961E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908285017164E+02 0.82447E+00 -0.18212E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904406103223E+02 0.38789E+00 -0.56027E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903504357909E+02 0.90175E-01 -0.14017E-01 712 0.166E+00 0.434E-01
DAV: 10 -0.903439315305E+02 0.65043E-02 -0.46025E-02 720 0.126E+00 0.320E-01
DAV: 11 -0.903475576459E+02 -0.36261E-02 -0.70594E-03 608 0.476E-01 0.150E-01
DAV: 12 -0.903509066872E+02 -0.33490E-02 -0.69290E-03 624 0.466E-01 0.127E-01
DAV: 13 -0.903538324035E+02 -0.29257E-02 -0.13379E-03 976 0.314E-01 0.806E-02
DAV: 14 -0.903568568361E+02 -0.30244E-02 -0.13234E-03 637 0.170E-01 0.536E-02
DAV: 15 -0.903593322758E+02 -0.24754E-02 -0.43173E-04 677 0.119E-01 0.400E-02
DAV: 16 -0.903606671145E+02 -0.13348E-02 -0.51970E-04 656 0.123E-01 0.301E-02
DAV: 17 -0.903615206441E+02 -0.85353E-03 -0.16210E-04 837 0.839E-02 0.161E-02
DAV: 18 -0.903616914385E+02 -0.17079E-03 -0.32806E-05 648 0.301E-02 0.912E-03
DAV: 19 -0.903618932636E+02 -0.20183E-03 -0.31106E-05 529 0.264E-02 0.379E-03
DAV: 20 -0.903619295340E+02 -0.36270E-04 -0.29747E-06 480 0.905E-03 0.388E-03
DAV: 21 -0.903619832833E+02 -0.53749E-04 -0.82045E-06 403 0.148E-02 0.204E-03
DAV: 22 -0.903619897378E+02 -0.64546E-05 -0.26795E-06 496 0.779E-03
1 F= -.90361990E+02 E0= -.90367975E+02 d E =0.179567E-01